CID 452170

6-aza-d4u

Structural Information

Molecular Formula
C8H9N3O4
SMILES
C1=C[C@@H](O[C@@H]1CO)N2C(=O)NC(=O)C=N2
InChI
InChI=1S/C8H9N3O4/c12-4-5-1-2-7(15-5)11-8(14)10-6(13)3-9-11/h1-3,5,7,12H,4H2,(H,10,13,14)/t5-,7+/m0/s1
InChIKey
FNPAYSJFZHAVJQ-CAHLUQPWSA-N
Compound name
2-[(2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-1,2,4-triazine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.05931 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.06659 141.1
[M+Na]+ 234.04853 151.4
[M-H]- 210.05203 142.8
[M+NH4]+ 229.09313 155.0
[M+K]+ 250.02247 148.9
[M+H-H2O]+ 194.05657 133.3
[M+HCOO]- 256.05751 160.0
[M+CH3COO]- 270.07316 178.1
[M+Na-2H]- 232.03398 146.1
[M]+ 211.05876 141.3
[M]- 211.05986 141.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.